Information card for entry 4507890

Structure parameters

• Formula: C17 H14 N2 O
• Calculated formula: C17 H14 N2 O
• Title of publication: Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study
• Authors of publication: Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3308
• a: 4.7701 ± 0.0002 Å
• b: 9.6744 ± 0.0004 Å
• c: 14.4676 ± 0.0007 Å
• α: 90°
• β: 97.6626 ± 0.0014°
• γ: 90°
• Cell volume: 661.69 ± 0.05 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No